TbNpF7
Alexandria ALEXAlex-ID: agm024199134 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
NpF4 TbF3
2024-12-31 04:26:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024199134).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm024199134
data_agm024199134
_cell_length_a 6.19170
_cell_length_b 6.15550
_cell_length_c 8.48662
_cell_angle_alpha 90.00000
_cell_angle_beta 102.52626
_cell_angle_gamma 90.00000
_cell_volume 315.75144
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tb1 Tb 0.32488 0.29441 0.73441 1.00000
Tb2 Tb 0.67512 0.79441 0.26559 1.00000
Np1 Np 0.14880 0.29709 0.19650 1.00000
Np2 Np 0.85120 0.79709 0.80350 1.00000
F1 F 0.98318 0.07416 0.99037 1.00000
F2 F 0.01682 0.57416 0.00963 1.00000
F3 F 0.39763 0.56650 0.25694 1.00000
F4 F 0.60237 0.06650 0.74306 1.00000
F5 F 0.40060 0.03101 0.24860 1.00000
F6 F 0.59940 0.53101 0.75140 1.00000
F7 F 0.92853 0.05146 0.28783 1.00000
F8 F 0.07147 0.55146 0.71217 1.00000
F9 F 0.26583 0.29917 0.46822 1.00000
F10 F 0.73417 0.79917 0.53178 1.00000
F11 F 0.35677 0.30131 0.99593 1.00000
F12 F 0.64323 0.80131 0.00407 1.00000
F13 F 0.89563 0.50882 0.28132 1.00000
F14 F 0.10437 0.00882 0.71868 1.00000
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